Structure

InChI Key JMUHBNWAORSSBD-WKYWBUFDSA-N
Smile CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46+,47+,48+,52+,53+,54+,59?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C59H109N6O19P
Molecular Weight 1237.52
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
OTHER Nucleotide-binding oligomerization domain-containing protein 2 other Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteosarcoma 2 D012516 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 838853-48-8
ChEMBL CHEMBL2107354
FDA SRS 1LM890Q4FY
Guide to Pharmacology 8274
PubChem 123133557
CAS NUMBER 838853-48-8
ChEBI 135906
ChEMBL CHEMBL2111100
DrugCentral 2960
FDA SRS 1LM890Q4FY
Guide to Pharmacology 8274
PubChem 123133557